4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide

C19H14Cl2FN3O2 — CID 163647885

IUPAC4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnnc(Cl)c2)c(Oc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C19H14Cl2FN3O2/c1-10-6-14(19(26)24-13-7-18(21)25-23-9-13)17(8-15(10)20)27-16-4-3-12(22)5-11(16)2/h3-9H,1-2H3,(H,24,25,26)
InChIKeyIJUKJQXKLAHKED-UHFFFAOYSA-N
MW406.24 g/mol
LogP5.58
Rot. Bonds4

About 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide

4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide (PubChem CID 163647885) has the molecular formula C19H14Cl2FN3O2 and a molecular weight of 406.24 g/mol. Its IUPAC name is 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
PubChem CID163647885
Molecular FormulaC19H14Cl2FN3O2
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC Name4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnnc(Cl)c2)c(Oc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C19H14Cl2FN3O2/c1-10-6-14(19(26)24-13-7-18(21)25-23-9-13)17(8-15(10)20)27-16-4-3-12(22)5-11(16)2/h3-9H,1-2H3,(H,24,25,26)
InChIKeyIJUKJQXKLAHKED-UHFFFAOYSA-N
XLogP5.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.24
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The IUPAC name of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide (CID 163647885) is 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The canonical SMILES for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide is Cc1cc(C(=O)Nc2cnnc(Cl)c2)c(Oc2ccc(F)cc2C)cc1Cl.
What is the InChIKey of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The InChIKey is IJUKJQXKLAHKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2/c1-10-6-14(19(26)24-13-7-18(21)25-23-9-13)17(8-15(10)20)27-16-4-3-12(22)5-11(16)2/h3-9H,1-2H3,(H,24,25,26).
What are the key properties of 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide has a molecular weight of 406.24 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide is sourced from PubChem (CID 163647885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).